3,5-bis(5-methoxy-1-methylindol-3-yl)-1,2,4-thiadiazole

C22H20N4O2S — CID 56678878

IUPAC3,5-bis(5-methoxy-1-methylindol-3-yl)-1,2,4-thiadiazole
SMILESCOc1ccc2c(c1)c(-c1nsc(-c3cn(C)c4ccc(OC)cc34)n1)cn2C
InChIInChI=1S/C22H20N4O2S/c1-25-11-17(15-9-13(27-3)5-7-19(15)25)21-23-22(29-24-21)18-12-26(2)20-8-6-14(28-4)10-16(18)20/h5-12H,1-4H3
InChIKeyQRUVBRNMCJDNKV-UHFFFAOYSA-N
MW404.50 g/mol
LogP4.87
Rot. Bonds4

About 3,5-bis(5-methoxy-1-methylindol-3-yl)-1,2,4-thiadiazole

3,5-bis(5-methoxy-1-methylindol-3-yl)-1,2,4-thiadiazole (PubChem CID 56678878) has the molecular formula C22H20N4O2S and a molecular weight of 404.50 g/mol. Its IUPAC name is 3,5-bis(5-methoxy-1-methylindol-3-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3,5-bis(5-methoxy-1-methylindol-3-yl)-1,2,4-thiadiazole
PubChem CID56678878
Molecular FormulaC22H20N4O2S
Molecular Weight404.50 g/mol
Exact Mass404.13
IUPAC Name3,5-bis(5-methoxy-1-methylindol-3-yl)-1,2,4-thiadiazole
SMILESCOc1ccc2c(c1)c(-c1nsc(-c3cn(C)c4ccc(OC)cc34)n1)cn2C
InChIInChI=1S/C22H20N4O2S/c1-25-11-17(15-9-13(27-3)5-7-19(15)25)21-23-22(29-24-21)18-12-26(2)20-8-6-14(28-4)10-16(18)20/h5-12H,1-4H3
InChIKeyQRUVBRNMCJDNKV-UHFFFAOYSA-N
XLogP4.87
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(5-methoxy-1-methylindol-3-yl)-1,2,4-thiadiazole?
The IUPAC name of 3,5-bis(5-methoxy-1-methylindol-3-yl)-1,2,4-thiadiazole (CID 56678878) is 3,5-bis(5-methoxy-1-methylindol-3-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 3,5-bis(5-methoxy-1-methylindol-3-yl)-1,2,4-thiadiazole?
The canonical SMILES for 3,5-bis(5-methoxy-1-methylindol-3-yl)-1,2,4-thiadiazole is COc1ccc2c(c1)c(-c1nsc(-c3cn(C)c4ccc(OC)cc34)n1)cn2C.
What is the InChIKey of 3,5-bis(5-methoxy-1-methylindol-3-yl)-1,2,4-thiadiazole?
The InChIKey is QRUVBRNMCJDNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2S/c1-25-11-17(15-9-13(27-3)5-7-19(15)25)21-23-22(29-24-21)18-12-26(2)20-8-6-14(28-4)10-16(18)20/h5-12H,1-4H3.
What are the key properties of 3,5-bis(5-methoxy-1-methylindol-3-yl)-1,2,4-thiadiazole?
3,5-bis(5-methoxy-1-methylindol-3-yl)-1,2,4-thiadiazole has a molecular weight of 404.50 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(5-methoxy-1-methylindol-3-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 56678878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).